butyl-[[3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium

Systemtic Name: butyl-[[3-(4-chlorophenyl)-7-oxidanyl-4-oxidanylidene-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-azanium Openeye Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium CAS Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-8-yl]methyl]-ethylammonium IUPAC Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-oxo-2-(trifluoromethyl)chromen-8-yl]methyl]-ethylazanium Traditional Name: butyl-[[3-(4-chlorophenyl)-7-hydroxy-4-keto-2-(trifluoromethyl)chromen-8-yl]methyl]-ethyl-ammonium Formula: C23H24ClF3NO3+ MolecularWeight: 454.88977

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O

Isomeric SMILES

CCCC[NH+](CC)CC1=C(C=CC2=C1OC(=C(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)O

InChI

InChI=1S/C23H23ClF3NO3/c1-3-5-12-28(4-2)13-17-18(29)11-10-16-20(30)19(14-6-8-15(24)9-7-14)22(23(25,26)27)31-21(16)17/h6-11,29H,3-5,12-13H2,1-2H3/p+1